Monomers

2-Cyclohexylacrylic acid methyl ester

Identifiers

IUPAC name
methyl 2-cyclohexylprop-2-enoate
InchI
InChI=1S/C10H16O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
InchI Key
XHYNRSNMLFADHQ-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)C1CCCCC1
Canonical SMILES
COC(=O)C(=C)C1CCCCC1
Isomeric SMILES
COC(=O)C(=C)C1CCCCC1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H16O2
Heavy Atom Count
12
Molecular Weight
168.236
Exact Molecular Weight
168.115
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.2959
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 28 28  0  0  0  0  0  0  0  0999 V2000
    4.4102    1.3087    0.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3911    0.3402    0.4210 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0514    0.6198    0.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7068    1.8050    0.0880 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9884   -0.3997    0.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3953   -1.6443    0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.0336    0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931   -1.2534    0.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7477   -1.0285    0.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9809    0.3453   -0.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0674    0.5034   -1.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6194    0.6012   -1.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2747    1.0407    0.9805 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8066    1.4173   -0.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0679    2.3081    0.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6545   -2.4191    0.6701 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4546   -1.8890    0.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6807    0.7075    1.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1243   -1.7233    1.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9824   -2.0231   -0.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2884   -1.2027    1.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1874   -1.7341   -0.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8038    1.1511    0.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0313    0.4015   -0.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2018   -0.4140   -2.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4147    1.3756   -2.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3872    1.6748   -1.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0423    0.1643   -1.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
 10 23  1  0
 10 24  1  0
 11 25  1  0
 11 26  1  0
 12 27  1  0
 12 28  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers